N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride

C17H27ClN2O3S — CID 120887299

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSc2ccc(OC)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-21-13-17(7-9-18-10-8-17)12-19-16(20)11-23-15-5-3-14(22-2)4-6-15;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H
InChIKeyRTIQMROEIPFJKL-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.34
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride (PubChem CID 120887299) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
PubChem CID120887299
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSc2ccc(OC)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-21-13-17(7-9-18-10-8-17)12-19-16(20)11-23-15-5-3-14(22-2)4-6-15;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H
InChIKeyRTIQMROEIPFJKL-UHFFFAOYSA-N
XLogP2.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
CID 120887429
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride (CID 120887299) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride is COCC1(CNC(=O)CSc2ccc(OC)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is RTIQMROEIPFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-21-13-17(7-9-18-10-8-17)12-19-16(20)11-23-15-5-3-14(22-2)4-6-15;/h3-6,18H,7-13H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120887299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).